1-(2-fluoro-6,7,8,9-tetrahydro-4H-thieno[3,2-c]oxocin-4-yl)-N-methylmethanamine

C11H16FNOS — CID 123376420

IUPAC1-(2-fluoro-6,7,8,9-tetrahydro-4H-thieno[3,2-c]oxocin-4-yl)-N-methylmethanamine
SMILESCNCC1OCCCCc2sc(F)cc21
InChIInChI=1S/C11H16FNOS/c1-13-7-9-8-6-11(12)15-10(8)4-2-3-5-14-9/h6,9,13H,2-5,7H2,1H3
InChIKeyHNWKJGPFAZUAHK-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.50
Rot. Bonds2

About 1-(2-fluoro-6,7,8,9-tetrahydro-4H-thieno[3,2-c]oxocin-4-yl)-N-methylmethanamine

1-(2-fluoro-6,7,8,9-tetrahydro-4H-thieno[3,2-c]oxocin-4-yl)-N-methylmethanamine (PubChem CID 123376420) has the molecular formula C11H16FNOS and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(2-fluoro-6,7,8,9-tetrahydro-4H-thieno[3,2-c]oxocin-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-fluoro-6,7,8,9-tetrahydro-4H-thieno[3,2-c]oxocin-4-yl)-N-methylmethanamine
PubChem CID123376420
Molecular FormulaC11H16FNOS
Molecular Weight229.32 g/mol
Exact Mass229.09
IUPAC Name1-(2-fluoro-6,7,8,9-tetrahydro-4H-thieno[3,2-c]oxocin-4-yl)-N-methylmethanamine
SMILESCNCC1OCCCCc2sc(F)cc21
InChIInChI=1S/C11H16FNOS/c1-13-7-9-8-6-11(12)15-10(8)4-2-3-5-14-9/h6,9,13H,2-5,7H2,1H3
InChIKeyHNWKJGPFAZUAHK-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-fluoro-6,7,8,9-tetrahydro-4H-thieno[3,2-c]oxocin-4-yl)-N-methylmethanamine with MolForge

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Related Compounds

Ulotaront
CID 89532783
methyl({[(4R)-4H,6H,7H-thieno[3,2-c]pyran-4-yl]methyl})amine
CID 53237585
(Rac)-SEP-363856
CID 68335002
1-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine
CID 89532773
Ulotaront Hydrochloride
CID 139415154
N-methyl-1-(4,5,6,8-tetrahydrothieno[2,3-c]oxepin-8-yl)methanamine
CID 166625859
Ethylamine, N,N-dimethyl-2-(phenyl-(2'-thienyl)methoxy)-, hydrochloride
CID 45381
1-(5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-7-yl)-N-methylmethanamine
CID 178313545
1-[5-(methoxymethyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine
CID 178314040
[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
CID 53237588
1-(3-ethyl-2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine
CID 53237820
{2-fluoro-4H,6H,7H-thieno[3,2-c]pyran-4-yl}methanamine
CID 53238044

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6,7,8,9-tetrahydro-4H-thieno[3,2-c]oxocin-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-fluoro-6,7,8,9-tetrahydro-4H-thieno[3,2-c]oxocin-4-yl)-N-methylmethanamine (CID 123376420) is 1-(2-fluoro-6,7,8,9-tetrahydro-4H-thieno[3,2-c]oxocin-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-fluoro-6,7,8,9-tetrahydro-4H-thieno[3,2-c]oxocin-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-fluoro-6,7,8,9-tetrahydro-4H-thieno[3,2-c]oxocin-4-yl)-N-methylmethanamine is CNCC1OCCCCc2sc(F)cc21.
What is the InChIKey of 1-(2-fluoro-6,7,8,9-tetrahydro-4H-thieno[3,2-c]oxocin-4-yl)-N-methylmethanamine?
The InChIKey is HNWKJGPFAZUAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNOS/c1-13-7-9-8-6-11(12)15-10(8)4-2-3-5-14-9/h6,9,13H,2-5,7H2,1H3.
What are the key properties of 1-(2-fluoro-6,7,8,9-tetrahydro-4H-thieno[3,2-c]oxocin-4-yl)-N-methylmethanamine?
1-(2-fluoro-6,7,8,9-tetrahydro-4H-thieno[3,2-c]oxocin-4-yl)-N-methylmethanamine has a molecular weight of 229.32 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6,7,8,9-tetrahydro-4H-thieno[3,2-c]oxocin-4-yl)-N-methylmethanamine is sourced from PubChem (CID 123376420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).